CAS RN: 1379005-34-1
N-acetyl-N-(2-(7-Methoxynaphthalen-1-yl)ethyl)acetaMide
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260425 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1379005-34-1
- Purity/Analytical Methods: >99.0%
1379005-34-1 / N-acetyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
Basic Information
CAS
1379005-34-1
Multi CAS
No
Molecular Formula
C17H19NO3
Molecular Weight
285.340000
Exact Mass
285.136493
SMILES
CC(=O)N(CCC1=CC=CC2=C1C=C(C=C2)OC)C(=O)C
InChI
InChI=1S/C17H19NO3/c1-12(19)18(13(2)20)10-9-15-6-4-5-14-7-8-16(21-3)11-17(14)15/h4-8,11H,9-10H2,1-3H3
InChIKey
NNGHCTJYAWJHDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
82.27
TPSA
46.61
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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